SCHEMBL9944295

SCHEMBL9944295

CCCCOc1cc(C(=O)Nc2ccc(C=O)cc2)cc(Cl)c1OCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
PLAU P00749 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 2/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9944360 0.87 MAPT (0.56) MAPTNPSR1TAS1R3TAS1R1TAS1R2
SCHEMBL9944293 0.83 TAS1R3 (0.53) MAPTNPSR1TAS1R3TAS1R1TAS1R2
SCHEMBL9944330 0.82 GAA (0.51) MAPTNPSR1TAS1R3TAS1R1TAS1R2
SCHEMBL9944310 0.82 MEN1 (0.50) MAPTNPSR1TAS1R3TAS1R1TAS1R2
SCHEMBL9944350 0.81 MAPT (0.50) MAPTNPSR1TAS1R3TAS1R1TAS1R2
SCHEMBL9944348 0.79 TAS1R3 (0.53) MAPTTAS1R3TAS1R1TAS1R2PLAU
SCHEMBL9944319 0.79 MAPT (0.48) MAPTNPSR1TAS1R3TAS1R1TAS1R2
SCHEMBL9944346 0.77 TAS1R3 (0.53) MAPTTAS1R3TAS1R1TAS1R2LMNA
SCHEMBL9944285 0.76 TAS1R3 (0.57) MAPTTAS1R3TAS1R1TAS1R2PLAU
SCHEMBL9944313 0.76 TAS1R3 (0.54) MAPTTAS1R3TAS1R1TAS1R2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG MAPT 150/4885NPSR1 826/4885TAS1R3 1123/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.